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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_22//m06l_molsimps/Ru_31a_22 OH//m06l_molsimps/Ru_31a_22/OH LS Ru_31a_22_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1656.8342421; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_15//m06l_molsimps/Ru_31a_15 VAC//m06l_molsimps/Ru_31a_15/VAC LS Ru_31a_15_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1633.6975433; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_32a_35//m06l_molsimps/Fe_32a_35 OOH//m06l_molsimps/Fe_32a_35/OOH HS Fe_32a_35_OOH_HSbm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1426.2283905; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_31a_18//m06l_molsimps/Mn_31a_18 VAC//m06l_molsimps/Mn_31a_18/VAC HS Mn_31a_18_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1474.1545532; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_31a_18//m06l_molsimps/Mn_31a_18 OH//m06l_molsimps/Mn_31a_18/OH HS Mn_31a_18_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1549.973172; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_3a1_5_//m06l_molsimps/Fe_3a1_5_ OH//m06l_molsimps/Fe_3a1_5_/OH LS//m06l_molsimps/Fe_3a1_5_/OH/LS forw Fe_3a1_5_OH_LS-f_3e-1m06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1591.7476754; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_3a1_5_//m06l_molsimps/Fe_3a1_5_ OOH//m06l_molsimps/Fe_3a1_5_/OOH LS Fe_3a1_5_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1666.8808127; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_3a1_5_//m06l_molsimps/Fe_3a1_5_ VAC//m06l_molsimps/Fe_3a1_5_/VAC HS Fe_3a1_5_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1515.9235102; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_3a1_3_ OOH//m06l_molsimps/Co_3a1_3_/OOH LS Co_3a1_3_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1704.5275196; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps/Co_3a1_30 VAC//m06l_molsimps/Co_3a1_30/VAC HS Co_3a1_30_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1265.9979434; Eh
Results 521-530 of 557 (Search time: 0.002 seconds).